4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine

C6H4F3N3O2 — CID 130103945

IUPAC4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine
SMILESNc1cc(C(F)F)c(F)c([N+](=O)[O-])n1
InChIInChI=1S/C6H4F3N3O2/c7-4-2(5(8)9)1-3(10)11-6(4)12(13)14/h1,5H,(H2,10,11)
InChIKeyDTQQYMCYRIFUIU-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.65
Rot. Bonds2

About 4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine

4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine (PubChem CID 130103945) has the molecular formula C6H4F3N3O2 and a molecular weight of 207.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine
PubChem CID130103945
Molecular FormulaC6H4F3N3O2
Molecular Weight207.11 g/mol
Exact Mass207.03
IUPAC Name4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine
SMILESNc1cc(C(F)F)c(F)c([N+](=O)[O-])n1
InChIInChI=1S/C6H4F3N3O2/c7-4-2(5(8)9)1-3(10)11-6(4)12(13)14/h1,5H,(H2,10,11)
InChIKeyDTQQYMCYRIFUIU-UHFFFAOYSA-N
XLogP1.65
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 130101818
4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine
CID 130105846
6-chloro-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 130102435
methyl 2-[4-(difluoromethyl)-5-fluoro-6-nitro-2-pyridinyl]acetate
CID 133104656
6-amino-3-(difluoromethyl)-2-nitropyridine-4-sulfonamide
CID 134676922
5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
CID 119014971
6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102626
6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131269677
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid
CID 130081519
5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 119012824
4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol
CID 118852034
6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide
CID 119011354

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine?
The IUPAC name of 4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine (CID 130103945) is 4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine is Nc1cc(C(F)F)c(F)c([N+](=O)[O-])n1.
What is the InChIKey of 4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine?
The InChIKey is DTQQYMCYRIFUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O2/c7-4-2(5(8)9)1-3(10)11-6(4)12(13)14/h1,5H,(H2,10,11).
What are the key properties of 4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine?
4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine has a molecular weight of 207.11 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine is sourced from PubChem (CID 130103945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).